ISSN:
1573-9171
Keywords:
tautomerim of β,β′-triketones
;
2-acetyltetronic acid
;
vibrational spectra
;
quantum-chemical calculation
;
intramolecular hydrogen bond
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Vibratonal spectra of 2-acetyltetronic acid (ATA) (3-acetyloxolane-2,4-dione) were investigated in different aggregate states.Ab initio quantum chemical calculations (3-21G basis set) of 2-formyltetronic acid as analogue of ATA and semi empirical calculation of ATA were carried out. The tautomeric forms of ATA can be arranged in the following series with respect to thermodynamic stability (in decresing order):1a,1b,2a,2b.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00707043
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